Details of the Drug

General Information of Drug (ID: DM4B73F)

Drug Name
4'-(6-Methoxypyridin-3-yl)biphenyl-3-ol
Synonyms CHEMBL1097417; BDBM50318417
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 277.3
Logarithm of the Partition Coefficient (xlogp) 4.1
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C18H15NO2
IUPAC Name
3-[4-(6-methoxypyridin-3-yl)phenyl]phenol
Canonical SMILES
COC1=NC=C(C=C1)C2=CC=C(C=C2)C3=CC(=CC=C3)O
InChI
InChI=1S/C18H15NO2/c1-21-18-10-9-16(12-19-18)14-7-5-13(6-8-14)15-3-2-4-17(20)11-15/h2-12,20H,1H3
InChIKey
JEDOKEGGMJNKGY-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
46887511
ChEBI ID
CHEMBL1097417
TTD ID
D0G5CP
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Estradiol 17 beta-dehydrogenase 1 (17-beta-HSD1) TTIWB6L DHB1_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Novel estrone mimetics with high 17beta-HSD1 inhibitory activity. Bioorg Med Chem. 2010 May 15;18(10):3494-505.